ethyl 2-[6-aminocarbonyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]acetate CAS Name: 2-[6-carbamoyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]acetate Traditional Name: 2-[6-carbamoyl-9-(4-fluorophenyl)-2-methyl-1H-purin-2-yl]acetic acid ethyl ester Formula: C17H18FN5O3 MolecularWeight: 359.354923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(NC(=C2C(=N1)N(C=N2)C3=CC=C(C=C3)F)C(=O)N)C

Isomeric SMILES

CCOC(=O)CC1(NC(=C2C(=N1)N(C=N2)C3=CC=C(C=C3)F)C(=O)N)C

InChI

InChI=1S/C17H18FN5O3/c1-3-26-12(24)8-17(2)21-13(15(19)25)14-16(22-17)23(9-20-14)11-6-4-10(18)5-7-11/h4-7,9,21H,3,8H2,1-2H3,(H2,19,25)